2-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
2-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
2-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-8024 |
| Compound Name: | 2-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 542.06 |
| Molecular Formula: | C29 H24 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1c1cccc(c1)[Cl])SCc1ccccc1C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7282 |
| logD: | 5.7248 |
| logSw: | -5.9231 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.098 |
| InChI Key: | LUHOCNLNOPKBPD-UHFFFAOYSA-N |